Compound Detail
CHEMBL119100
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Basic Information
| ChEMBL ID | CHEMBL119100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCGUGQUECVRUCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
3.97
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 3700.0 | nM | 5.43 | Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/... | 9719603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9719603 | 10.1021/jm980235+ | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 9719603 | 10.1021/jm980235+ | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 9719603 | 10.1021/jm980235+ | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
Data from ChEMBL 36 via Core Engine